am I right that the tshift input variable now controls not only shifting to put nearest atom to the origin but also a shift to put the inversion center to the origin? Shouldn't then the description of that input block be corrected? I was a bit puzzled by it.
The description should be changed. Setting 'tshift=.false.' will freeze the atomic positions to those in the input file. If 'tshift=.true.' then the code may shift the basis to either the inversion center or to the first atom of species with the fewest atoms.
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